Extended Point Defects in Crystalline Materials: Ge and Si

NEB Cowern, S Simdyankin, C Ahn, NS Bennett, JP Goss, J-M Hartmann, A Pakfar, S Hamm, J Valentin, E Napolitani, D De Salvador, E Bruno and S Mirabella
Physical Review Letters

B diffusion measurements are used to probe the basic nature of self-interstitial point defects in Ge. We find two distinct self-interstitial formsa simple one with low entropy and a complex one with entropy ~30k at the migration saddle point. The latter dominates diffusion at high temperature. We propose that its structure is similar to that of an amorphous pocketwe name it a morph. Computational modeling suggests that morphs exist in both self-interstitial and vacancy-like forms, and are crucial for diffusion and defect dynamics in Ge, Si, and probably many other crystalline solids.

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